FAQs
Other than the library size, are there any other major factors that influence the docking time?
Solution
It is not possible to determine how long a ligand or set of ligands will take to dock as this is dependent on, but not limited to, the following:
- the size of the defined binding site
- the size and flexibility of the ligand(s)
- the computer speed
- the GOLD configuration (e.g. docking runs that allow for flexible side chains or explicit water molecules will take longer)
- the number of GA runs per ligand
- whether or not "allow early termination" is switched on
- the chosen GA parameters